SCHEMBL19782862

SCHEMBL19782862

COCc1cnc2c(Br)cc(C)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 2/20 0.32
CA2 P00918 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
LMNA P02545 1/20 0.32
PTPN1 P18031 1/20 0.31
XDH P47989 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30189953 1.00 CCR1 (0.34) CCR1CCR5CCR8ALDH1A1PRNP
SCHEMBL30189933 0.83 S1PR4 (0.33) ALDH1A1MAPTCA2CYP11B1CYP11B2
SCHEMBL19783603 0.83 S1PR4 (0.33) ALDH1A1MAPTCA2CYP11B1CYP11B2
SCHEMBL19783610 0.81 TLR7 (0.32) CCR1CCR5CCR8
SCHEMBL19783279 0.81 CCR1 (0.36) CCR1CCR5CCR8PRNPNPSR1
SCHEMBL30189704 0.79 CCR1 (0.33) CCR1CCR5CCR8GRM5CYP11B1
SCHEMBL19783287 0.79 CCR1 (0.33) CCR1CCR5CCR8GRM5CYP11B1
SCHEMBL19782773 0.76 NOS1 (0.38) CCR1CCR5CCR8ALDH1A1MAPT
SCHEMBL19783554 0.76 LMNA (0.34) ALDH1A1GRM5CA2CYP11B1CYP11B2
SCHEMBL19776334 0.76 MAPT (0.39) CCR1CCR5CCR8ALDH1A1PRNP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 CCR1 2186/4885CCR5 2573/4885CCR8 1454/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 CCR1 2972/4885CCR5 2766/4885CCR8 2189/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CCR1 2186/4885CCR5 2573/4885CCR8 1454/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.